6HSG
Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Histone deacetylase | polymer | 447 | 50576.1 | 4 | UniProt (A5H660) Pfam (PF00850) | Schistosoma mansoni (Blood fluke) | |
| 2 | E, JA, O, X (A, D, B, C) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | F, G, KA, LA, P... (A, D, B, C) | POTASSIUM ION | non-polymer | 39.1 | 8 | Chemie (K) | |||
| 4 | AA, H, MA, R (C, A, D, B) | ~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide | non-polymer | 326.4 | 4 | Chemie (GM5) | |||
| 5 | BA, CA, DA, EA, FA... (C, A, D, B) | DIMETHYLFORMAMIDE | non-polymer | 73.1 | 17 | Chemie (DMF) | |||
| 6 | HA, IA, N, RA, U... (C, A, D, B) | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 7 | SA, TA, UA, VA (A, B, C, D) | water | water | 18.0 | 910 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 440 (UniProt: A5H660)
| PDB | External Database | Details |
|---|---|---|
| His 0 | - | expression tag |
| Met 292 | His 292 | engineered mutation |
| Gly 441 | - | expression tag |
| Ser 442 | - | expression tag |
| Leu 443 | - | expression tag |
| Val 444 | - | expression tag |
| Pro 445 | - | expression tag |
| Arg 446 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 202304.3 | |
| Non-Polymers* | Number of molecules | 40 |
| Total formula weight | 3767.2 | |
| All* | Total formula weight | 206071.5 |
